2,2-dimethyl-5-[(2-methyl-4-nitroanilino)methylidene]-1,3-dioxane-4,6-dione
Chemical Structure Depiction of
2,2-dimethyl-5-[(2-methyl-4-nitroanilino)methylidene]-1,3-dioxane-4,6-dione
2,2-dimethyl-5-[(2-methyl-4-nitroanilino)methylidene]-1,3-dioxane-4,6-dione
Compound characteristics
| Compound ID: | K699-0024 |
| Compound Name: | 2,2-dimethyl-5-[(2-methyl-4-nitroanilino)methylidene]-1,3-dioxane-4,6-dione |
| Molecular Weight: | 306.27 |
| Molecular Formula: | C14 H14 N2 O6 |
| Smiles: | Cc1cc(ccc1NC=C1C(=O)OC(C)(C)OC1=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.2277 |
| logD: | 0.1495 |
| logSw: | -2.7488 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.729 |
| InChI Key: | REUOGPNPOITQQX-UHFFFAOYSA-N |